Geometry & MOs

Info

ID:	298527
PubChem CID:	117650604
Reduced:	NO7C23H25 (1)
Stoich.:	AB7C23D25 (1)
Weight, g/mol:	550.296242
ΔH_f, kcal/mol:	-153.56
Dipole, Da:	7.03
IP(EA), eV:	-8.99(-1.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-N-[(2R,3S)-5-amino-4-[[(3S,4S,5R)-4-amino-1-(aminomethyl)-2-oxabicyclo[3.1.0]hexan-3-yl]oxy]-2-[(2R,3S,5R)-4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxycyclohexyl]-2-hydroxybutanamide

Drug info:

PubChemData

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔH_f, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(S_z, S²):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CC(=CCC1=C(C(=C(C=C1O)OC)C(=O)/C=C/C2=CC=C(C=C2)[N+](=O)[O-])OCOC)C

DOS

IR

Vibrations

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔHf, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(Sz, S2):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CC(=CCC1=C(C(=C(C=C1O)OC)C(=O)/C=C/C2=CC=C(C=C2)[N+](=O)[O-])OCOC)C

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):